N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-0571 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | Cc1ccc(cc1)SC1C=CC2=NN(CC(NCc3ccc4c(c3)OCO4)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.781 |
| logD: | 3.781 |
| logSw: | -3.8715 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.763 |
| InChI Key: | IQRKPCADRFQUQN-UHFFFAOYSA-N |